CID 97347

2,3-dihydro-1h-pyrrolizin-1-one

Structural Information

Molecular Formula
C7H7NO
SMILES
C1CN2C=CC=C2C1=O
InChI
InChI=1S/C7H7NO/c9-7-3-5-8-4-1-2-6(7)8/h1-2,4H,3,5H2
InChIKey
JXGLKOLYBRHCBH-UHFFFAOYSA-N
Compound name
2,3-dihydropyrrolizin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

54
Patents

121.052765 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.06004 122.6
[M+Na]+ 144.04198 133.7
[M+NH4]+ 139.08659 132.1
[M+K]+ 160.01592 131.2
[M-H]- 120.04549 123.6
[M+Na-2H]- 142.02743 127.4
[M]+ 121.05222 124.2
[M]- 121.05331 124.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe